ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

14549769

Analogs

14549770
14549771
14549772
14549793
14549794

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	12.01	-8.95	1	3	0	32	376.475	2	↓ MOL2 SDF SMILES Flexibase

14549770

Analogs

14549771
14549772
14549793
14549794
14549795

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	11.18	-7.81	1	3	0	32	376.475	2	↓ MOL2 SDF SMILES Flexibase

14549771

Analogs

14549772
14549793
14549794
14549795
14549796

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	10.44	-8.21	1	3	0	32	376.475	2	↓ MOL2 SDF SMILES Flexibase

14549772

Analogs

14549793
14549794
14549795
14549796
14549769

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	11.66	-8.55	1	3	0	32	376.475	2	↓ MOL2 SDF SMILES Flexibase

14549793

Analogs

14549794
14549795
14549796
14549769
14549770

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	12.45	-8.51	1	3	0	32	390.502	2	↓ MOL2 SDF SMILES Flexibase

14549794

Analogs

14549795
14549796
14549769
14549770
14549771

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	11.71	-7.67	1	3	0	32	390.502	2	↓ MOL2 SDF SMILES Flexibase

14549795

Analogs

14549796
14549769
14549770
14549771
14549772

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	11.14	-9.78	1	3	0	32	390.502	2	↓ MOL2 SDF SMILES Flexibase

14549796

Analogs

14549769
14549770
14549771
14549772
14549793

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-6-yl]carbonyl]-4-methyl- piperidine, 1-[[4-(4-fluoropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	12.35	-9.44	1	3	0	32	390.502	2	↓ MOL2 SDF SMILES Flexibase

14550361

Analogs

14550362
14550363
14550364
14550385
14550386

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	9.77	-10.02	1	4	0	42	388.511	3	↓ MOL2 SDF SMILES Flexibase

14550362

Analogs

14550363
14550364
14550385
14550386
14550387

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	10.8	-7.54	1	4	0	42	388.511	3	↓ MOL2 SDF SMILES Flexibase

14550363

Analogs

14550364
14550385
14550386
14550387
14550388

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	11.17	-9.51	1	4	0	42	388.511	3	↓ MOL2 SDF SMILES Flexibase

14550364

Analogs

14550385
14550386
14550387
14550388
14550361

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	10.47	-11.92	1	4	0	42	388.511	3	↓ MOL2 SDF SMILES Flexibase

14550385

Analogs

14550386
14550387
14550388
14550361
14550362

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	11.84	-8.54	1	4	0	42	402.538	3	↓ MOL2 SDF SMILES Flexibase

14550386

Analogs

14550387
14550388
14550361
14550362
14550363

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	10.91	-8.46	1	4	0	42	402.538	3	↓ MOL2 SDF SMILES Flexibase

14550387

Analogs

14550388
14550361
14550362
14550363
14550364

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	10.28	-8.77	1	4	0	42	402.538	3	↓ MOL2 SDF SMILES Flexibase

14550388

Analogs

14550361
14550362
14550363
14550364
14550385

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	11.41	-9.22	1	4	0	42	402.538	3	↓ MOL2 SDF SMILES Flexibase

14550877

Analogs

14550878
14550879
14550880
14550897
14550898

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	12.58	-11.98	1	6	0	78	403.482	3	↓ MOL2 SDF SMILES Flexibase

14550878

Analogs

14550879
14550880
14550897
14550898
14550899

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	11.73	-11.11	1	6	0	78	403.482	3	↓ MOL2 SDF SMILES Flexibase

14550879

Analogs

14550880
14550897
14550898
14550899
14550900

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	11	-10.9	1	6	0	78	403.482	3	↓ MOL2 SDF SMILES Flexibase

14550880

Analogs

14550897
14550898
14550899
14550900
14550877

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	12.32	-10.06	1	6	0	78	403.482	3	↓ MOL2 SDF SMILES Flexibase

14550897

Analogs

14550898
14550899
14550900
14550877
14550878

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

Find On: PubMed — Wikipedia — Google

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	13.01	-11.28	1	6	0	78	417.509	3	↓ MOL2 SDF SMILES Flexibase

14550898

Analogs

14550899
14550900
14550877
14550878
14550879

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	12.32	-11.09	1	6	0	78	417.509	3	↓ MOL2 SDF SMILES Flexibase

14550899

Analogs

14550900
14550877
14550878
14550879
14550880

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	11.76	-12.67	1	6	0	78	417.509	3	↓ MOL2 SDF SMILES Flexibase

14550900

Analogs

14550877
14550878
14550879
14550880
14550897

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.27	12.92	-9.91	1	6	0	78	417.509	3	↓ MOL2 SDF SMILES Flexibase

14551403

Analogs

14551404
14551405
14551406
14551423
14551424

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 1-[(3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	10.47	-9.29	1	3	0	32	358.485	2	↓ MOL2 SDF SMILES Flexibase

14551404

Analogs

14551405
14551406
14551423
14551424
14551425

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 1-[(3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	11.42	-8.29	1	3	0	32	358.485	2	↓ MOL2 SDF SMILES Flexibase

14551405

Analogs

14551406
14551423
14551424
14551425
14551426

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 1-[(3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	11.83	-9.54	1	3	0	32	358.485	2	↓ MOL2 SDF SMILES Flexibase

14551406

Analogs

14551423
14551424
14551425
14551426
14551403

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 1-[(3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	11.1	-8.66	1	3	0	32	358.485	2	↓ MOL2 SDF SMILES Flexibase

14551423

Analogs

14551424
14551425
14551426
14551403
14551404

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 4-methyl-1-[(3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	12.33	-9.32	1	3	0	32	372.512	2	↓ MOL2 SDF SMILES Flexibase

14551424

Analogs

14551425
14551426
14551403
14551404
14551405

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 4-methyl-1-[(3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	11.67	-8.55	1	3	0	32	372.512	2	↓ MOL2 SDF SMILES Flexibase

14551425

Analogs

14551426
14551403
14551404
14551405
14551406

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 4-methyl-1-[(3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	11.07	-9.08	1	3	0	32	372.512	2	↓ MOL2 SDF SMILES Flexibase

14551426

Analogs

14551403
14551404
14551405
14551406
14551423

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[(3a,4,5,9b-tetrahydro-4-phenyl-3H-cyclopenta[c]quinolin-6-yl)carbonyl]- piperidine, 4-methyl-1-[(3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	12.19	-8.01	1	3	0	32	372.512	2	↓ MOL2 SDF SMILES Flexibase

14552041

Analogs

14552042
14552043
14552044
14552065
14552066

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	11.32	-8.53	1	3	0	32	404.579	3	↓ MOL2 SDF SMILES Flexibase

14552042

Analogs

14552043
14552044
14552065
14552066
14552067

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	12.68	-8.43	1	3	0	32	404.579	3	↓ MOL2 SDF SMILES Flexibase

14552043

Analogs

14552044
14552065
14552066
14552067
14552068

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	12.93	-10.3	1	3	0	32	404.579	3	↓ MOL2 SDF SMILES Flexibase

14552044

Analogs

14552065
14552066
14552067
14552068
14552041

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 1-[[3a,4,5,9b-tetrah…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.51	12.13	-9.1	1	3	0	32	404.579	3	↓ MOL2 SDF SMILES Flexibase

14552065

Analogs

14552066
14552067
14552068
14552041
14552042

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	13.36	-8.85	1	3	0	32	418.606	3	↓ MOL2 SDF SMILES Flexibase

14552066

Analogs

14552067
14552068
14552041
14552042
14552043

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	12.73	-8.09	1	3	0	32	418.606	3	↓ MOL2 SDF SMILES Flexibase

14552067

Analogs

14552068
14552041
14552042
14552043
14552044

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	12.11	-10.36	1	3	0	32	418.606	3	↓ MOL2 SDF SMILES Flexibase

14552068

Analogs

14552041
14552042
14552043
14552044
14552065

Draw Identity 99% 90% 80% 70%

Popular Name: piperidine, 4-methyl-1-[[3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-3H-cyclopenta[c]quinolin-6-yl]carbonyl]- piperidine, 4-methyl-1-[[3a,4,5,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.75	13.03	-8.62	1	3	0	32	418.606	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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